Showing metabocard for Melanostatin (BMDB0005764)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 23:18:07 UTC
Update Date2020-04-22 15:16:11 UTC
BMDB IDBMDB0005764
Secondary Accession Numbers
  • BMDB05764
Metabolite Identification
Common NameMelanostatin
DescriptionMelanostatin, also known as H-pro-leu-gly-NH2 or MIF-1, belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review a significant number of articles have been published on Melanostatin.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
H-Pro-leu-gly-NH2MeSH
MIF-1MeSH
MIF-IMeSH
MSH Release-inhibiting factorMeSH
MSH Release-inhibiting hormoneMeSH
Oxytocin (7-9)MeSH
Pro-leu-gly-NH2MeSH
Pro-leu-glyamideMeSH
Prol leu gly NH2MeSH
Prol-leu-gly-NH2MeSH
Prolyl leucyl glycinamideMeSH
Prolyl-leucyl-glycinamideMeSH
ProlylleucylglycinamideMeSH
7-9-OxytocinHMDB
L-Proline-L-leucine-glycine-amideHMDB
L-Prolyl-L-leucylglycinamideHMDB
L-Prolyl-L-leucylglycylamideHMDB
Melanostatin I (ox)HMDB
MSH-Release inhibiting factor IHMDB
Oxytocin c-terminal tripeptideHMDB
Prolylleucylglycine amideHMDB
(2S)-2-({hydroxy[(2S)-pyrrolidin-2-yl]methylidene}amino)-N-[(C-hydroxycarbonimidoyl)methyl]-4-methylpentanimidateGenerator, HMDB
MelanostatinMeSH
Chemical FormulaC13H24N4O3
Average Molecular Weight284.3547
Monoisotopic Molecular Weight284.184840654
IUPAC Name(2S)-N-(carbamoylmethyl)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamide
Traditional NameL-prolyl-l-leucylglycinamide
CAS Registry Number9083-38-9
SMILES
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
InChI Identifier
InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
InChI KeyNOOJLZTTWSNHOX-UWVGGRQHSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentOligopeptides
Alternative Parents
Substituents
  • Alpha-oligopeptide
  • Leucine or derivatives
  • Proline or derivatives
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • Pyrrolidine carboxylic acid or derivatives
  • Pyrrolidine-2-carboxamide
  • Fatty amide
  • N-acyl-amine
  • Fatty acyl
  • Pyrrolidine
  • Amino acid or derivatives
  • Carboxamide group
  • Primary carboxylic acid amide
  • Secondary carboxylic acid amide
  • Azacycle
  • Secondary aliphatic amine
  • Organoheterocyclic compound
  • Secondary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic nitrogen compound
  • Carbonyl group
  • Amine
  • Organic oxygen compound
  • Organopnictogen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.82ALOGPS
logP-1.3ChemAxon
logS-2.8ALOGPS
pKa (Strongest Acidic)12.46ChemAxon
pKa (Strongest Basic)9.5ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area113.32 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity73.66 m³·mol⁻¹ChemAxon
Polarizability30.58 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0005764
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023754
KNApSAcK IDNot Available
Chemspider ID83871
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMelanocyte-inhibiting factor
METLIN IDNot Available
PubChem Compound92910
PDB IDNot Available
ChEBI ID259663
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available